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SMILES: CNC(=O)Oc1ccc2OC[C@@H]3CCN(C)[C@@H]3c2c1

InChI Key: InChIKey=ZHSORBYPJBKFAV-ZANVPECISA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50422361   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Homo sapiens (Human))
BDBM50422361
PNG
(CHEMBL11514)
Show SMILES CNC(=O)Oc1ccc2OC[C@@H]3CCN(C)[C@@H]3c2c1
Show InChI InChI=1S/C14H18N2O3/c1-15-14(17)19-10-3-4-12-11(7-10)13-9(8-18-12)5-6-16(13)2/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,15,17)/t9-,13-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibitory activity against butyrylcholinesterase (BChE) in human erythrocyte


J Med Chem 44: 105-9 (2001)


BindingDB Entry DOI: 10.7270/Q2NG4RX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50422361
PNG
(CHEMBL11514)
Show SMILES CNC(=O)Oc1ccc2OC[C@@H]3CCN(C)[C@@H]3c2c1
Show InChI InChI=1S/C14H18N2O3/c1-15-14(17)19-10-3-4-12-11(7-10)13-9(8-18-12)5-6-16(13)2/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,15,17)/t9-,13-/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.62E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase in human erythrocytes


J Med Chem 44: 105-9 (2001)


BindingDB Entry DOI: 10.7270/Q2NG4RX2
More data for this
Ligand-Target Pair